Scaling Up Fundamental Quantum Chemistry Simulations on Quantum Hardware

In “Hartree-Fock on a Superconducting Qubit Quantum Computer”, appearing today in Science, the Google AI Quantum team explores this complex question by performing the largest chemical simulation performed on a quantum computer to date. In our experiment, we used a noise-robust variational quantum eigensolver (VQE) to directly simulate a chemical mechanism via a quantum algorithm.

This module contains the necessary code to run the Hartree-Fock VQE experiment described in arXiv:2004.04174. The goal in providing this code is transparency of the experiment and so other researchers can use this as a basis for molecular simulations. This is a living code base and various pieces may be integrated into OpenFermion over time. Git Quantum Project

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